ChemSpider 2D Image | 4-Amino-N-(ethoxycarbonyl)-D-phenylalanyl-L-valyl-L-alanyl-L-leucinamide | C26H42N6O6

4-Amino-N-(ethoxycarbonyl)-D-phenylalanyl-L-valyl-L-alanyl-L-leucinamide

  • Molecular FormulaC26H42N6O6
  • Average mass534.648 Da
  • Monoisotopic mass534.316589 Da
  • ChemSpider ID23168925

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Amino-N-(ethoxycarbonyl)-D-phenylalanyl-L-valyl-L-alanyl-L-leucinamid [German] [ACD/IUPAC Name]
4-Amino-N-(ethoxycarbonyl)-D-phenylalanyl-L-valyl-L-alanyl-L-leucinamide [ACD/IUPAC Name]
4-Amino-N-(éthoxycarbonyl)-D-phénylalanyl-L-valyl-L-alanyl-L-leucinamide [French] [ACD/IUPAC Name]
L-Leucinamide, 4-amino-N-(ethoxycarbonyl)-D-phenylalanyl-L-valyl-L-alanyl- [ACD/Index Name]
((R)-2-(4-Amino-phenyl)-1-{(S)-1-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-ethyl)-carbamic acid ethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312029/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 888.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 491.1±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 115.86
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.16
ACD/KOC (pH 7.4): 127.69
Polar Surface Area: 195 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 454.8±3.0 cm3

Click to predict properties on the Chemicalize site


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